No, David, I get no warnings at all. Is there a way to make warnings more
explicit ?
Thank you
-Himanshu
On Tue, 13 Jan 2009, gmx-users-requ...@gromacs.org wrote:
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Today's Topics:
1. Re: smd_forces (Justin A. Lemkul)
2. Re: GROMACS 4.0.2 error Value of 'multiplicity' in Proper
Dih. is 0, (David van der Spoel)
3. Re: Re: g_clustsize bug (Alessandro Magliano)
4. Re: Re: Re: g_clustsize bug (David van der Spoel)
Message: 2
Date: Tue, 13 Jan 2009 19:36:35 +0100
From: David van der Spoel <sp...@xray.bmc.uu.se>
Subject: Re: [gmx-users] GROMACS 4.0.2 error Value of 'multiplicity'
in Proper Dih. is 0,
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Message-ID: <496cdf33.6070...@xray.bmc.uu.se>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
himanshu khandelia wrote:
Hi,
I am using grompp after installing gromacs 4.0.2, and get the following
error for a single lipid molecule:
-------------------------------------------------------
Program grompp, VERSION 4.0.2
Source code file: convparm.c, line: 68
Fatal error:
Value of 'multiplicity' in Proper Dih. is 0, which is smaller than the
minimum of 1
-------------------------------------------------------
you probably got a warning as well.
I do not get any such error using grompp v. 3.3.3.
Anyone know whats going on ?
The topology looks fine, there is no dihedral with multiplicity 0. Is
this a formatting problem ?
Thank you for the help,
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